3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide

C12H18ClN3OS — CID 80642347

IUPAC3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1sccc1Cl
InChIInChI=1S/C12H18ClN3OS/c13-10-2-9-18-11(10)12(17)15-3-1-6-16-7-4-14-5-8-16/h2,9,14H,1,3-8H2,(H,15,17)
InChIKeyPMVZRRQDZPCKJI-UHFFFAOYSA-N
MW287.82 g/mol
LogP1.43
Rot. Bonds5

About 3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide

3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 80642347) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
PubChem CID80642347
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1sccc1Cl
InChIInChI=1S/C12H18ClN3OS/c13-10-2-9-18-11(10)12(17)15-3-1-6-16-7-4-14-5-8-16/h2,9,14H,1,3-8H2,(H,15,17)
InChIKeyPMVZRRQDZPCKJI-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119392093
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119392076
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119445747
3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]thiophene-2-carboxamide
CID 10364070
2-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119393747
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187
N-(3-piperazin-1-ylpropyl)thiadiazole-4-carboxamide
CID 65216494

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide (CID 80642347) is 3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide is O=C(NCCCN1CCNCC1)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is PMVZRRQDZPCKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c13-10-2-9-18-11(10)12(17)15-3-1-6-16-7-4-14-5-8-16/h2,9,14H,1,3-8H2,(H,15,17).
What are the key properties of 3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide?
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 287.82 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 80642347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).